N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C12H20N2O2S — CID 60664950

IUPACN-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(C)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O2S/c1-4-9(2)13-11(15)6-5-7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyQLJHCYVDQNXVAG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.91
Rot. Bonds6

About N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 60664950) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID60664950
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(C)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O2S/c1-4-9(2)13-11(15)6-5-7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyQLJHCYVDQNXVAG-UHFFFAOYSA-N
XLogP1.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 60664950) is N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCC(C)NC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is QLJHCYVDQNXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-9(2)13-11(15)6-5-7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 60664950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).